[4-[4-(2-sulfanylethylamino)butyl]phenyl] hydrogen sulfate

Systemtic Name: [4-[4-(2-sulfanylethylamino)butyl]phenyl] hydrogen sulfate Openeye Name: [4-[4-(2-sulfanylethylamino)butyl]phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-[4-(2-mercaptoethylamino)butyl]phenyl] ester IUPAC Name: [4-[4-(2-sulfanylethylamino)butyl]phenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-[4-(2-mercaptoethylamino)butyl]phenyl] ester Formula: C12H19NO4S2 MolecularWeight: 305.41356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCNCCS)OS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCCNCCS)OS(=O)(=O)O

InChI

InChI=1S/C12H19NO4S2/c14-19(15,16)17-12-6-4-11(5-7-12)3-1-2-8-13-9-10-18/h4-7,13,18H,1-3,8-10H2,(H,14,15,16)